NRG Ljubljana 2.4.3.31 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Aug 14 2018 at 10:37:37 Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 No MPI: single node calculation. [OMP] Max. number of threads: 1 [OMP] Number of processors: 32 [OMP] Dynamic thread adjustment: 0 [OMP] Nested parallelism: 0 Using Intel MKL library 11.3.2 Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors max_threads=1 blas_max_threads=1 dynamic=1 workdir=. substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=1 lastalloverride=0 z=0.5 discretization=Z band=asymode bandrescale=1 betabar=1 T=1e-08 keep=10000 keepenergy=8 keepmin=200 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=300 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=1 broaden=0 broaden_max=2 broaden_min=0.0001 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d_u A_d_d self_d_u self_d_d n_d SZd specs= specd=A_d_u-A_d_u self_d_u-A_d_u A_d_d-A_d_d self_d_d-A_d_d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=old preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 invdim=1 0 Q additive I=(0) [0 (additive)] singlet QNs=(0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 5 (-2) 1 states 0.1840276025493562 (-1) 4 states 0.06192374445199827 0.1177428866604974 0.1854315416810962 0.3125786968522007 (0) 6 states 0 0.07791095570838061 0.1191468257922374 0.1904748387548428 0.2500625564555483 0.325927175958229 (1) 4 states 0.01602628456781683 0.130984604025074 0.21974165575549 0.2633719622501417 (2) 1 states 0.1602514210257212 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-4.264334094013143e-06 =1.000006581641793 ***** [NRG] Iteration 1/30 (scale 1.0201394465967895) ***** [1] xi(0)=0.5909823141143189 xi_scaled(0)=0.579315226056448 zeta(1)=0.008422930198362818 [2] xi(0)=0.5939644253868802 xi_scaled(0)=0.5822384649161056 zeta(1)=-0.004514382786370016 Stats: nr=7 min=1 max=20 Emax=2.403509431793735 nrkept=64 nrkeptmult=64 Total energy=-1.238482325048125 Egs=-0.9705903524800642 Kept: 64 out of 64, ratio=1 =-1.134482772472599e-05 =1.000017372548361 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5606036338734433 xi_scaled(1)=0.7771616564620741 zeta(2)=0.008485986551431826 [2] xi(1)=0.5602139497090836 xi_scaled(1)=0.7766214395024046 zeta(2)=-0.004159654507912524 Stats: nr=9 min=1 max=70 Emax=4.98553500724657 nrkept=256 nrkeptmult=256 Total energy=-1.810965850994248 Egs=-0.7936306838531428 Kept: 256 out of 256, ratio=1 =-3.039420274065108e-05 =1.000046014718341 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5067810044263246 xi_scaled(2)=0.993552413088149 zeta(3)=0.01901694093443099 [2] xi(2)=0.5065701793111513 xi_scaled(2)=0.9931390870161565 zeta(3)=-0.009422212308011541 Stats: nr=11 min=1 max=252 Emax=8.050149078142372 nrkept=965 nrkeptmult=965 Total energy=-2.531308628330422 Egs=-1.41224374714507 Kept: 965 out of 1024, ratio=0.942 =-8.141625941027529e-05 =1.000114783565752 Memory used: 78 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3767517438876104 xi_scaled(3)=1.044577636186959 zeta(4)=0.01375039556261171 [2] xi(3)=0.3763230628214537 xi_scaled(3)=1.043389079897495 zeta(4)=-0.006811922912978099 Stats: nr=13 min=1 max=861 Emax=8.001064870719592 nrkept=1961 nrkeptmult=1961 Total energy=-2.916552377950216 Egs=-1.068122475509208 Kept: 1961 out of 3860, ratio=0.508 =-0.000177131034483512 =1.000276885645309 Memory used: 120 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2587908345646243 xi_scaled(4)=1.014727292147978 zeta(5)=0.006919501187985091 [2] xi(4)=0.2585481342627656 xi_scaled(4)=1.013775656358701 zeta(5)=-0.003435766325148919 Stats: nr=13 min=6 max=1659 Emax=8.002423260505312 nrkept=2255 nrkeptmult=2255 Total energy=-3.256613879451368 Egs=-1.333392224506583 Kept: 2255 out of 7844, ratio=0.287 =-0.000400924973496533 =1.000573231491964 Memory used: 221 MB Time elapsed: 8 s ***** [NRG] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804342964568339 xi_scaled(5)=1.000540190922974 zeta(6)=0.003496143610022657 [2] xi(5)=0.180340282791399 xi_scaled(5)=1.000018868465931 zeta(6)=-0.001740209125321148 Stats: nr=13 min=5 max=1874 Emax=8.000834505662727 nrkept=2115 nrkeptmult=2115 Total energy=-3.449633646487205 Egs=-1.070328858505826 Kept: 2115 out of 9020, ratio=0.234 =-0.0007997004812972772 =1.001058923307766 Memory used: 209 MB Time elapsed: 17 s ***** [NRG] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273564354594362 xi_scaled(6)=0.9987374638579105 zeta(7)=0.001812156854080253 [2] xi(6)=0.1273208116870022 xi_scaled(6)=0.998458099913674 zeta(7)=-0.0009033532774957198 Stats: nr=13 min=4 max=1779 Emax=8.003526248731948 nrkept=1877 nrkeptmult=1877 Total energy=-3.6111662806187 Egs=-1.266749440346584 Kept: 1877 out of 8460, ratio=0.222 =-0.001437430727447908 =1.001791981986107 Memory used: 207 MB Time elapsed: 25 s ***** [NRG] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008848667320241 xi_scaled(7)=0.9991132886150793 zeta(8)=0.0009413929190354279 [2] xi(7)=0.09007489414558591 xi_scaled(7)=0.9989625426599743 zeta(8)=-0.0004696747915559248 Stats: nr=13 min=5 max=1578 Emax=8.001365616224012 nrkept=1867 nrkeptmult=1867 Total energy=-3.712281805060593 Egs=-1.121407050843814 Kept: 1867 out of 7508, ratio=0.249 =-0.002402739454714113 =1.002692256887672 Memory used: 156 MB Time elapsed: 32 s ***** [NRG] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372753333733885 xi_scaled(8)=0.9995109362734358 zeta(9)=0.0004878800078141676 [2] xi(8)=0.06372237409965628 xi_scaled(8)=0.9994300181173968 zeta(9)=-0.000243525283180564 Stats: nr=13 min=4 max=1570 Emax=8.000750093850861 nrkept=1683 nrkeptmult=1683 Total energy=-3.789549739403117 Egs=-1.211880349892028 Kept: 1683 out of 7468, ratio=0.225 =-0.003759717058892515 =1.003668135019598 Memory used: 156 MB Time elapsed: 37 s ***** [NRG] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507281637700705 xi_scaled(9)=0.9997470589317942 zeta(10)=0.0002523006930245297 [2] xi(9)=0.04507087134802612 xi_scaled(9)=0.9997039168084585 zeta(10)=-0.0001259697439712386 Stats: nr=13 min=2 max=1427 Emax=8.000735424065452 nrkept=1594 nrkeptmult=1594 Total energy=-3.842386452196363 Egs=-1.171955792086216 Kept: 1594 out of 6732, ratio=0.237 =-0.005585888730534757 =1.004309880629126 Memory used: 199 MB Time elapsed: 41 s ***** [NRG] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187529118656805 xi_scaled(10)=0.9998724403540654 zeta(11)=0.0001302622813288248 [2] xi(10)=0.03187456050421605 xi_scaled(10)=0.9998495201196385 zeta(11)=-6.504817572015272e-05 Stats: nr=13 min=2 max=1374 Emax=8.007426319471334 nrkept=1466 nrkeptmult=1466 Total energy=-3.879289301086819 Egs=-1.157578180545849 Kept: 1466 out of 6376, ratio=0.23 =-0.007929159410397436 =1.004473326700017 Memory used: 199 MB Time elapsed: 45 s ***** [NRG] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254067582308146 xi_scaled(11)=0.9999363772598171 zeta(12)=6.716874557489791e-05 [2] xi(11)=0.02254040327036788 xi_scaled(11)=0.9999242864345388 zeta(12)=-3.354490159145797e-05 Stats: nr=13 min=1 max=1261 Emax=8.00541629893319 nrkept=1366 nrkeptmult=1366 Total energy=-3.906820627913889 Egs=-1.221328740304509 Kept: 1366 out of 5864, ratio=0.233 =-0.01094031506873165 =1.003612566267122 Memory used: 199 MB Time elapsed: 48 s ***** [NRG] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593917646232582 xi_scaled(12)=0.9999684817521325 zeta(13)=3.459844604046206e-05 [2] xi(12)=0.01593907420451091 xi_scaled(12)=0.9999620664525616 zeta(13)=-1.72800228742687e-05 Stats: nr=13 min=2 max=1185 Emax=8.00376584250828 nrkept=1290 nrkeptmult=1290 Total energy=-3.92443379581665 Egs=-1.1049888812135 Kept: 1290 out of 5464, ratio=0.236 =-0.01463490023147557 =1.001549945177758 Memory used: 199 MB Time elapsed: 51 s ***** [NRG] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.01127087892662217 xi_scaled(13)=0.9999843776538447 zeta(14)=1.780504173803402e-05 [2] xi(13)=0.01127084160632125 xi_scaled(13)=0.9999810664907907 zeta(14)=-8.893071619761218e-06 Stats: nr=13 min=1 max=1123 Emax=8.000505816224987 nrkept=1159 nrkeptmult=1159 Total energy=-3.938745545492999 Egs=-1.269779063941194 Kept: 1159 out of 5160, ratio=0.225 =-0.01926491033843691 =0.997996589473604 Memory used: 199 MB Time elapsed: 53 s ***** [NRG] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.00796977838098221 xi_scaled(14)=0.9999923404284653 zeta(15)=9.155132729020554e-06 [2] xi(14)=0.007969763910918125 xi_scaled(14)=0.9999905248255013 zeta(15)=-4.572877448418064e-06 Stats: nr=13 min=1 max=1021 Emax=8.007882042530893 nrkept=1113 nrkeptmult=1113 Total energy=-3.947165899557277 Egs=-1.056527442226855 Kept: 1113 out of 4636, ratio=0.24 =-0.02496840108075579 =0.9928582603501201 Memory used: 199 MB Time elapsed: 55 s ***** [NRG] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635505747622568 xi_scaled(15)=0.9999961395184511 zeta(16)=4.70379065869056e-06 [2] xi(15)=0.005635501106780449 xi_scaled(15)=0.9999953160210738 zeta(16)=-2.349563881227005e-06 Stats: nr=13 min=1 max=984 Emax=8.00492060402812 nrkept=1002 nrkeptmult=1002 Total energy=-3.954576759363731 Egs=-1.315025044574319 Kept: 1002 out of 4452, ratio=0.225 =-0.0319471576955686 =0.9860963047004527 Memory used: 199 MB Time elapsed: 56 s ***** [NRG] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912533824118 xi_scaled(16)=0.9999981983464894 zeta(17)=2.414991557644906e-06 [2] xi(16)=0.00398491020246198 xi_scaled(16)=0.9999976133002888 zeta(17)=-1.206331028344484e-06 Stats: nr=13 min=1 max=893 Emax=8.003143107563604 nrkept=995 nrkeptmult=995 Total energy=-3.958624790676528 Egs=-1.015837608802489 Kept: 995 out of 4008, ratio=0.248 =-0.04020874476751454 =0.9777934545700745 Memory used: 199 MB Time elapsed: 57 s ***** [NRG] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817760777758715 xi_scaled(17)=0.9999989445610761 zeta(18)=1.239037471976321e-06 [2] xi(17)=0.002817760636486504 xi_scaled(17)=0.9999988944247895 zeta(18)=-6.189384367676039e-07 Stats: nr=13 min=1 max=881 Emax=8.000909290255727 nrkept=873 nrkeptmult=873 Total energy=-3.962437449611755 Egs=-1.353079701191392 Kept: 873 out of 3980, ratio=0.219 =-0.04973258714362661 =0.9680380046088807 Memory used: 199 MB Time elapsed: 59 s ***** [NRG] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992459220605991 xi_scaled(18)=0.9999996807823447 zeta(19)=6.352888654689687e-07 [2] xi(18)=0.001992458555212402 xi_scaled(18)=0.9999993468265127 zeta(19)=-3.173535296433353e-07 Stats: nr=12 min=1 max=783 Emax=8.003766914906942 nrkept=893 nrkeptmult=893 Total energy=-3.964401382572698 Egs=-0.9856825744336073 Kept: 893 out of 3492, ratio=0.256 =-0.0598166827287301 =0.9575886285284386 Memory used: 199 MB Time elapsed: 60 s ***** [NRG] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881181622465 xi_scaled(19)=0.9999995072364294 zeta(20)=3.255302724965944e-07 [2] xi(19)=0.001408881654146444 xi_scaled(19)=0.9999998426257813 zeta(20)=-1.626204356965229e-07 Stats: nr=13 min=1 max=798 Emax=8.001139956309208 nrkept=761 nrkeptmult=761 Total energy=-3.96634713416569 Egs=-1.381060844290895 Kept: 761 out of 3572, ratio=0.213 =-0.06997505386415985 =0.9470028715841696 Memory used: 199 MB Time elapsed: 61 s ***** [NRG] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.0009962300834868909 xi_scaled(20)=1.000000155756928 zeta(21)=1.667057287876265e-07 [2] xi(20)=0.0009962296479973252 xi_scaled(20)=0.9999997186193227 zeta(21)=-8.328003500496174e-08 Stats: nr=11 min=7 max=687 Emax=8.006440532468361 nrkept=771 nrkeptmult=771 Total energy=-3.967309520075207 Egs=-0.9660279039620064 Kept: 771 out of 3044, ratio=0.253 =-0.07900613200038194 =0.937546397756776 Memory used: 199 MB Time elapsed: 61 s ***** [NRG] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044405234360381 xi_scaled(21)=0.9999994115929332 zeta(22)=8.532732221521512e-08 [2] xi(21)=0.0007044410738725418 xi_scaled(21)=1.000000192973563 zeta(22)=-4.262761322519406e-08 Stats: nr=12 min=1 max=690 Emax=8.002014213511378 nrkept=672 nrkeptmult=672 Total energy=-3.96829511060689 Egs=-1.399110242761095 Kept: 672 out of 3084, ratio=0.218 =-0.08635014548349529 =0.929832378861127 Memory used: 199 MB Time elapsed: 62 s ***** [NRG] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981152075459091 xi_scaled(22)=1.000000488616761 zeta(23)=4.364509418400305e-08 [2] xi(22)=0.0004981148144383243 xi_scaled(22)=0.999999699426287 zeta(23)=-2.180427409992424e-08 Stats: nr=11 min=5 max=608 Emax=8.003943390125601 nrkept=680 nrkeptmult=680 Total energy=-3.968770564432071 Egs=-0.9545062071833091 Kept: 680 out of 2688, ratio=0.253 =-0.09161780305300572 =0.9242984442446702 Memory used: 199 MB Time elapsed: 62 s ***** [NRG] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.0003522201026052952 xi_scaled(23)=0.9999989598510901 zeta(24)=2.23213895754486e-08 [2] xi(23)=0.0003522206421782715 xi_scaled(23)=1.000000491769374 zeta(24)=-1.115174163116839e-08 Stats: nr=12 min=1 max=617 Emax=8.002931179355068 nrkept=609 nrkeptmult=609 Total energy=-3.969267059085127 Egs=-1.40961328713513 Kept: 609 out of 2720, ratio=0.224 =-0.09501452273640865 =0.9207167835170331 Memory used: 199 MB Time elapsed: 63 s ***** [NRG] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490577076761369 xi_scaled(24)=1.00000090580231 zeta(25)=1.140110317396951e-08 [2] xi(24)=0.0002490573627894706 xi_scaled(24)=0.9999995210349726 zeta(25)=-5.695957797622876e-09 Stats: nr=11 min=5 max=547 Emax=8.000506984922131 nrkept=607 nrkeptmult=607 Total energy=-3.969503221294523 Egs=-0.9482237089358042 Kept: 607 out of 2436, ratio=0.249 =-0.0970502141364699 =0.9185726695073391 Memory used: 199 MB Time elapsed: 63 s ***** [NRG] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761099250655927 xi_scaled(25)=0.9999982430440557 zeta(26)=5.828869645826523e-09 [2] xi(25)=0.000176110386781694 xi_scaled(25)=1.000000864788911 zeta(26)=-2.912219856647915e-09 Stats: nr=11 min=4 max=552 Emax=8.001227513866558 nrkept=565 nrkeptmult=565 Total energy=-3.969752473951884 Egs=-1.41532181870233 Kept: 565 out of 2428, ratio=0.233 =-0.09812747829642328 =0.9174363808466448 Memory used: 199 MB Time elapsed: 63 s ***** [NRG] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245288727661508 xi_scaled(26)=1.000001057800011 zeta(27)=2.978716067153561e-09 [2] xi(26)=0.0001245286713384945 xi_scaled(26)=0.9999994402805967 zeta(27)=-1.488210058876584e-09 Stats: nr=11 min=5 max=507 Emax=8.001803693945789 nrkept=579 nrkeptmult=579 Total energy=-3.96987014614268 Egs=-0.9449400179686217 Kept: 579 out of 2260, ratio=0.256 =-0.09870976423970791 =0.9168225070195423 Memory used: 199 MB Time elapsed: 64 s ***** [NRG] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.805494529997866e-05 xi_scaled(27)=0.9999980473391581 zeta(28)=1.508993692671441e-09 [2] xi(27)=8.805520173270734e-05 xi_scaled(27)=1.000000959523444 zeta(28)=-7.539467781005068e-10 Stats: nr=11 min=4 max=525 Emax=8.00305733988041 nrkept=548 nrkeptmult=548 Total energy=-3.969995035018359 Egs=-1.418303439837471 Kept: 548 out of 2316, ratio=0.237 =-0.09900071114799247 =0.9165155459715275 Memory used: 199 MB Time elapsed: 64 s ***** [NRG] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.226432229051499e-05 xi_scaled(28)=0.9999992254108059 zeta(29)=8.01065683704206e-10 [2] xi(28)=6.226439112318309e-05 xi_scaled(28)=1.000000330901274 zeta(29)=-4.002561026891663e-10 Stats: nr=11 min=5 max=490 Emax=8.004532616339871 nrkept=571 nrkeptmult=571 Total energy=-3.970053766573044 Egs=-0.9432610366862962 Kept: 571 out of 2192, ratio=0.26 =-0.0991530195994538 =0.9163549145184645 Memory used: 199 MB Time elapsed: 64 s ***** [NRG] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402747649788225e-05 xi_scaled(29)=0.9999981347365302 zeta(30)=4.159087779410143e-10 [2] xi(29)=4.402759831646004e-05 xi_scaled(29)=1.00000090160759 zeta(30)=-2.078209914292437e-10 Stats: nr=11 min=4 max=516 Emax=8.006728499947689 nrkept=2284 nrkeptmult=2284 Total energy=-3.970116278125135 Egs=-1.419827808978382 Kept: 2284 out of 2284, ratio=1 =-0.09922462724222124 =0.916279450146122 Memory used: 199 MB Time elapsed: 65 s ** Iteration completed. Total energy: -3.970116278125135 Grand canonical Z= 1 Zft (last shell)= 1 Calculating density matrices. [DM] 29 [DM] 28 [DM] 27 [DM] 26 [DM] 25 [DM] 24 [DM] 23 [DM] 22 [DM] 21 [DM] 20 [DM] 19 [DM] 18 [DM] 17 [DM] 16 [DM] 15 [DM] 14 [DM] 13 [DM] 12 [DM] 11 [DM] 10 [DM] 9 [DM] 8 [DM] 7 [DM] 6 [DM] 5 [DM] 4 [DM] 3 [DM] 2 [DM] 1 Calculating full density matrices. [FDM] 29 [FDM] 28 [FDM] 27 [FDM] 26 [FDM] 25 [FDM] 24 [FDM] 23 [FDM] 22 [FDM] 21 [FDM] 20 [FDM] 19 [FDM] 18 [FDM] 17 [FDM] 16 [FDM] 15 [FDM] 14 [FDM] 13 [FDM] 12 [FDM] 11 [FDM] 10 [FDM] 9 [FDM] 8 [FDM] 7 [FDM] 6 [FDM] 5 [FDM] 4 [FDM] 3 [FDM] 2 [FDM] 1 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) Number of invariant subspaces: 5 (-2) 1 states 0.1840276025493562 (-1) 4 states 0.06192374445199827 0.1177428866604974 0.1854315416810962 0.3125786968522007 (0) 6 states 0 0.07791095570838061 0.1191468257922374 0.1904748387548428 0.2500625564555483 0.325927175958229 (1) 4 states 0.01602628456781683 0.130984604025074 0.21974165575549 0.2633719622501417 (2) 1 states 0.1602514210257212 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d_d-A_d_d FDM Spectrum: A_d_u-A_d_u FDM Spectrum: self_d_d-A_d_d FDM Spectrum: self_d_u-A_d_u FDM ***** [DM] Iteration 1/30 (scale 1.0201394465967895) ***** [1] xi(0)=0.5909823141143189 xi_scaled(0)=0.579315226056448 zeta(1)=0.008422930198362818 [2] xi(0)=0.5939644253868802 xi_scaled(0)=0.5822384649161056 zeta(1)=-0.004514382786370016 Stats: nr=7 min=1 max=20 Emax=2.403509431793735 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 192 MB Time elapsed: 80 s ***** [DM] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5606036338734433 xi_scaled(1)=0.7771616564620741 zeta(2)=0.008485986551431826 [2] xi(1)=0.5602139497090836 xi_scaled(1)=0.7766214395024046 zeta(2)=-0.004159654507912524 Stats: nr=9 min=1 max=70 Emax=4.98553500724657 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 192 MB Time elapsed: 80 s ***** [DM] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5067810044263246 xi_scaled(2)=0.993552413088149 zeta(3)=0.01901694093443099 [2] xi(2)=0.5065701793111513 xi_scaled(2)=0.9931390870161565 zeta(3)=-0.009422212308011541 Stats: nr=11 min=1 max=252 Emax=8.050149078142372 nrkept=965 nrkeptmult=965 Kept: 965 out of 1024, ratio=0.942 Memory used: 192 MB Time elapsed: 80 s ***** [DM] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3767517438876104 xi_scaled(3)=1.044577636186959 zeta(4)=0.01375039556261171 [2] xi(3)=0.3763230628214537 xi_scaled(3)=1.043389079897495 zeta(4)=-0.006811922912978099 Stats: nr=13 min=1 max=861 Emax=8.001064870719592 nrkept=1961 nrkeptmult=1961 Kept: 1961 out of 3860, ratio=0.508 Memory used: 192 MB Time elapsed: 81 s ***** [DM] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2587908345646243 xi_scaled(4)=1.014727292147978 zeta(5)=0.006919501187985091 [2] xi(4)=0.2585481342627656 xi_scaled(4)=1.013775656358701 zeta(5)=-0.003435766325148919 Stats: nr=13 min=6 max=1659 Emax=8.002423260505312 nrkept=2255 nrkeptmult=2255 Kept: 2255 out of 7844, ratio=0.287 Memory used: 502 MB Time elapsed: 89 s ***** [DM] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804342964568339 xi_scaled(5)=1.000540190922974 zeta(6)=0.003496143610022657 [2] xi(5)=0.180340282791399 xi_scaled(5)=1.000018868465931 zeta(6)=-0.001740209125321148 Stats: nr=13 min=5 max=1874 Emax=8.000834505662727 nrkept=2115 nrkeptmult=2115 Kept: 2115 out of 9020, ratio=0.234 Memory used: 672 MB Time elapsed: 97 s ***** [DM] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273564354594362 xi_scaled(6)=0.9987374638579105 zeta(7)=0.001812156854080253 [2] xi(6)=0.1273208116870022 xi_scaled(6)=0.998458099913674 zeta(7)=-0.0009033532774957198 Stats: nr=13 min=4 max=1779 Emax=8.003526248731948 nrkept=1877 nrkeptmult=1877 Kept: 1877 out of 8460, ratio=0.222 Memory used: 483 MB Time elapsed: 105 s ***** [DM] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008848667320241 xi_scaled(7)=0.9991132886150793 zeta(8)=0.0009413929190354279 [2] xi(7)=0.09007489414558591 xi_scaled(7)=0.9989625426599743 zeta(8)=-0.0004696747915559248 Stats: nr=13 min=5 max=1578 Emax=8.001365616224012 nrkept=1867 nrkeptmult=1867 Kept: 1867 out of 7508, ratio=0.249 Memory used: 372 MB Time elapsed: 111 s ***** [DM] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372753333733885 xi_scaled(8)=0.9995109362734358 zeta(9)=0.0004878800078141676 [2] xi(8)=0.06372237409965628 xi_scaled(8)=0.9994300181173968 zeta(9)=-0.000243525283180564 Stats: nr=13 min=4 max=1570 Emax=8.000750093850861 nrkept=1683 nrkeptmult=1683 Kept: 1683 out of 7468, ratio=0.225 Memory used: 481 MB Time elapsed: 116 s ***** [DM] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507281637700705 xi_scaled(9)=0.9997470589317942 zeta(10)=0.0002523006930245297 [2] xi(9)=0.04507087134802612 xi_scaled(9)=0.9997039168084585 zeta(10)=-0.0001259697439712386 Stats: nr=13 min=2 max=1427 Emax=8.000735424065452 nrkept=1594 nrkeptmult=1594 Kept: 1594 out of 6732, ratio=0.237 Memory used: 318 MB Time elapsed: 121 s ***** [DM] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187529118656805 xi_scaled(10)=0.9998724403540654 zeta(11)=0.0001302622813288248 [2] xi(10)=0.03187456050421605 xi_scaled(10)=0.9998495201196385 zeta(11)=-6.504817572015272e-05 Stats: nr=13 min=2 max=1374 Emax=8.007426319471334 nrkept=1466 nrkeptmult=1466 Kept: 1466 out of 6376, ratio=0.23 Memory used: 318 MB Time elapsed: 125 s ***** [DM] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254067582308146 xi_scaled(11)=0.9999363772598171 zeta(12)=6.716874557489791e-05 [2] xi(11)=0.02254040327036788 xi_scaled(11)=0.9999242864345388 zeta(12)=-3.354490159145797e-05 Stats: nr=13 min=1 max=1261 Emax=8.00541629893319 nrkept=1366 nrkeptmult=1366 Kept: 1366 out of 5864, ratio=0.233 Memory used: 339 MB Time elapsed: 128 s ***** [DM] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593917646232582 xi_scaled(12)=0.9999684817521325 zeta(13)=3.459844604046206e-05 [2] xi(12)=0.01593907420451091 xi_scaled(12)=0.9999620664525616 zeta(13)=-1.72800228742687e-05 Stats: nr=13 min=2 max=1185 Emax=8.00376584250828 nrkept=1290 nrkeptmult=1290 Kept: 1290 out of 5464, ratio=0.236 Memory used: 339 MB Time elapsed: 131 s ***** [DM] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.01127087892662217 xi_scaled(13)=0.9999843776538447 zeta(14)=1.780504173803402e-05 [2] xi(13)=0.01127084160632125 xi_scaled(13)=0.9999810664907907 zeta(14)=-8.893071619761218e-06 Stats: nr=13 min=1 max=1123 Emax=8.000505816224987 nrkept=1159 nrkeptmult=1159 Kept: 1159 out of 5160, ratio=0.225 Memory used: 339 MB Time elapsed: 133 s ***** [DM] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.00796977838098221 xi_scaled(14)=0.9999923404284653 zeta(15)=9.155132729020554e-06 [2] xi(14)=0.007969763910918125 xi_scaled(14)=0.9999905248255013 zeta(15)=-4.572877448418064e-06 Stats: nr=13 min=1 max=1021 Emax=8.007882042530893 nrkept=1113 nrkeptmult=1113 Kept: 1113 out of 4636, ratio=0.24 Memory used: 339 MB Time elapsed: 135 s ***** [DM] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635505747622568 xi_scaled(15)=0.9999961395184511 zeta(16)=4.70379065869056e-06 [2] xi(15)=0.005635501106780449 xi_scaled(15)=0.9999953160210738 zeta(16)=-2.349563881227005e-06 Stats: nr=13 min=1 max=984 Emax=8.00492060402812 nrkept=1002 nrkeptmult=1002 Kept: 1002 out of 4452, ratio=0.225 Memory used: 339 MB Time elapsed: 137 s ***** [DM] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912533824118 xi_scaled(16)=0.9999981983464894 zeta(17)=2.414991557644906e-06 [2] xi(16)=0.00398491020246198 xi_scaled(16)=0.9999976133002888 zeta(17)=-1.206331028344484e-06 Stats: nr=13 min=1 max=893 Emax=8.003143107563604 nrkept=995 nrkeptmult=995 Kept: 995 out of 4008, ratio=0.248 Memory used: 339 MB Time elapsed: 138 s ***** [DM] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817760777758715 xi_scaled(17)=0.9999989445610761 zeta(18)=1.239037471976321e-06 [2] xi(17)=0.002817760636486504 xi_scaled(17)=0.9999988944247895 zeta(18)=-6.189384367676039e-07 Stats: nr=13 min=1 max=881 Emax=8.000909290255727 nrkept=873 nrkeptmult=873 Kept: 873 out of 3980, ratio=0.219 Memory used: 339 MB Time elapsed: 140 s ***** [DM] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992459220605991 xi_scaled(18)=0.9999996807823447 zeta(19)=6.352888654689687e-07 [2] xi(18)=0.001992458555212402 xi_scaled(18)=0.9999993468265127 zeta(19)=-3.173535296433353e-07 Stats: nr=12 min=1 max=783 Emax=8.003766914906942 nrkept=893 nrkeptmult=893 Kept: 893 out of 3492, ratio=0.256 Memory used: 339 MB Time elapsed: 141 s ***** [DM] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881181622465 xi_scaled(19)=0.9999995072364294 zeta(20)=3.255302724965944e-07 [2] xi(19)=0.001408881654146444 xi_scaled(19)=0.9999998426257813 zeta(20)=-1.626204356965229e-07 Stats: nr=13 min=1 max=798 Emax=8.001139956309208 nrkept=761 nrkeptmult=761 Kept: 761 out of 3572, ratio=0.213 Memory used: 339 MB Time elapsed: 142 s ***** [DM] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.0009962300834868909 xi_scaled(20)=1.000000155756928 zeta(21)=1.667057287876265e-07 [2] xi(20)=0.0009962296479973252 xi_scaled(20)=0.9999997186193227 zeta(21)=-8.328003500496174e-08 Stats: nr=11 min=7 max=687 Emax=8.006440532468361 nrkept=771 nrkeptmult=771 Kept: 771 out of 3044, ratio=0.253 Memory used: 339 MB Time elapsed: 142 s ***** [DM] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044405234360381 xi_scaled(21)=0.9999994115929332 zeta(22)=8.532732221521512e-08 [2] xi(21)=0.0007044410738725418 xi_scaled(21)=1.000000192973563 zeta(22)=-4.262761322519406e-08 Stats: nr=12 min=1 max=690 Emax=8.002014213511378 nrkept=672 nrkeptmult=672 Kept: 672 out of 3084, ratio=0.218 Memory used: 339 MB Time elapsed: 143 s ***** [DM] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981152075459091 xi_scaled(22)=1.000000488616761 zeta(23)=4.364509418400305e-08 [2] xi(22)=0.0004981148144383243 xi_scaled(22)=0.999999699426287 zeta(23)=-2.180427409992424e-08 Stats: nr=11 min=5 max=608 Emax=8.003943390125601 nrkept=680 nrkeptmult=680 Kept: 680 out of 2688, ratio=0.253 Memory used: 339 MB Time elapsed: 144 s ***** [DM] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.0003522201026052952 xi_scaled(23)=0.9999989598510901 zeta(24)=2.23213895754486e-08 [2] xi(23)=0.0003522206421782715 xi_scaled(23)=1.000000491769374 zeta(24)=-1.115174163116839e-08 Stats: nr=12 min=1 max=617 Emax=8.002931179355068 nrkept=609 nrkeptmult=609 Kept: 609 out of 2720, ratio=0.224 Memory used: 339 MB Time elapsed: 144 s ***** [DM] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490577076761369 xi_scaled(24)=1.00000090580231 zeta(25)=1.140110317396951e-08 [2] xi(24)=0.0002490573627894706 xi_scaled(24)=0.9999995210349726 zeta(25)=-5.695957797622876e-09 Stats: nr=11 min=5 max=547 Emax=8.000506984922131 nrkept=607 nrkeptmult=607 Kept: 607 out of 2436, ratio=0.249 Memory used: 339 MB Time elapsed: 145 s ***** [DM] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761099250655927 xi_scaled(25)=0.9999982430440557 zeta(26)=5.828869645826523e-09 [2] xi(25)=0.000176110386781694 xi_scaled(25)=1.000000864788911 zeta(26)=-2.912219856647915e-09 Stats: nr=11 min=4 max=552 Emax=8.001227513866558 nrkept=565 nrkeptmult=565 Kept: 565 out of 2428, ratio=0.233 Memory used: 339 MB Time elapsed: 145 s ***** [DM] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245288727661508 xi_scaled(26)=1.000001057800011 zeta(27)=2.978716067153561e-09 [2] xi(26)=0.0001245286713384945 xi_scaled(26)=0.9999994402805967 zeta(27)=-1.488210058876584e-09 Stats: nr=11 min=5 max=507 Emax=8.001803693945789 nrkept=579 nrkeptmult=579 Kept: 579 out of 2260, ratio=0.256 Memory used: 339 MB Time elapsed: 146 s ***** [DM] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.805494529997866e-05 xi_scaled(27)=0.9999980473391581 zeta(28)=1.508993692671441e-09 [2] xi(27)=8.805520173270734e-05 xi_scaled(27)=1.000000959523444 zeta(28)=-7.539467781005068e-10 Stats: nr=11 min=4 max=525 Emax=8.00305733988041 nrkept=548 nrkeptmult=548 Kept: 548 out of 2316, ratio=0.237 Memory used: 339 MB Time elapsed: 146 s ***** [DM] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.226432229051499e-05 xi_scaled(28)=0.9999992254108059 zeta(29)=8.01065683704206e-10 [2] xi(28)=6.226439112318309e-05 xi_scaled(28)=1.000000330901274 zeta(29)=-4.002561026891663e-10 Stats: nr=11 min=5 max=490 Emax=8.004532616339871 nrkept=571 nrkeptmult=571 Kept: 571 out of 2192, ratio=0.26 Memory used: 339 MB Time elapsed: 146 s ***** [DM] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402747649788225e-05 xi_scaled(29)=0.9999981347365302 zeta(30)=4.159087779410143e-10 [2] xi(29)=4.402759831646004e-05 xi_scaled(29)=1.00000090160759 zeta(30)=-2.078209914292437e-10 Stats: nr=11 min=4 max=516 Emax=8.006728499947689 nrkept=2284 nrkeptmult=2284 Kept: 2284 out of 2284, ratio=1 Memory used: 339 MB Time elapsed: 147 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4429166230240308 neg=0.5570833769754358 sum= 0.9999999999994665 mu1=-0.007085932160198344 mu2=0.03310973954372265 mu3=0.0006958999533335855 mu4=0.01338475374465106 f=0.4429166230240308 b=0.4429166230240308 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6402224590440326 neg=0.359777540955133 sum= 0.9999999999991656 mu1=0.002887359516653613 mu2=0.002585489298991593 mu3=-9.126894320472519e-05 mu4=0.0007988180984607486 f=0.6402224590440326 b=0.6402224590440326 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004428162783792324 neg=-0.006568306673836923 sum= -0.007011122952216156 mu1=0.0006320664594447324 mu2=-0.0002330358565289186 mu3=3.894781657129722e-05 mu4=-9.218445839091077e-05 f=-0.0004428162783792324 b=-0.0004428162783792324 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004489829621837984 neg=-0.001635660773098854 sum= 0.00285416884873913 mu1=0.0006331699965781985 mu2=4.233244488339235e-05 mu3=5.953196780434632e-05 mu4=1.219155245641735e-05 f=0.004489829621837984 b=0.004489829621837984 Memory usage report =================== after diag: 689072 kB after recalc: 689072 kB after split: 689072 kB after trim: 689072 kB after trunc: 689072 kB diag_h: 284124 kB Peak usage: 689072 kB Timing report ============= All: 147 s DM: 2 s FDM: 12 s diag: 55 s recalc d: 39 s recalc s: 2 s spec d: 28 s Other: 5 s